2-(2,3-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole IUPAC Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]oxazole Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)C[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)C[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O3/c1-16-18(25-21(30-16)17-7-4-8-19(28-2)20(17)29-3)15-26-11-6-12-27(14-13-26)22-23-9-5-10-24-22/h4-5,7-10H,6,11-15H2,1-3H3/p+1